SCHEMBL808805

SCHEMBL808805

CCC(CC)(C(=O)N[C@@H](c1cccc2ccccc12)C(O)(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1)C(=O)N[C@@H](c1cccc2ccccc12)C(O)(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTPN1 P18031 1/20 0.41
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
DRD4 P21917 1/20 0.39
GCGR P47871 1/20 0.38
MAPT P10636 1/20 0.38
KCNJ11 Q14654 1/20 0.38
HPGD P15428 1/20 0.38
MCL1 Q07820 1/20 0.38
POLB P06746 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL808829 0.92 KMT2A (0.42) KMT2AMEN1KDM4EALDH1A1CACNA1B
SCHEMBL808771 0.90 POLB (0.46) KDM4EALDH1A1DRD4POLBMTNR1A
SCHEMBL808963 0.89 KMT2A (0.45) KMT2AMEN1KDM4EALDH1A1CACNA1B
SCHEMBL809189 0.89 LMNA (0.44) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL808765 0.88 LMNA (0.39) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL808552 0.87 CASR (0.44) GAA
SCHEMBL809241 0.87 PTPN1 (0.47) KMT2AMEN1KDM4EALDH1A1CACNA1B
SCHEMBL808703 0.84 L3MBTL1 (0.43) KMT2AMEN1KDM4EALDH1A1CACNA1B
SCHEMBL808597 0.84 ALDH1A1 (0.43) ALDH1A1L3MBTL1GAAHPGD
SCHEMBL808855 0.84 PTGER4 (0.38) KMT2AMEN1ALDH1A1TDP1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1593674-B1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-07-20 EP disclosed
US-7683215-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-23 US disclosed
US-7671213-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-02 US disclosed
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ITAGAKI MAKOTO 2008-03-27 US disclosed
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ITAGAKI MAKOTO 2008-03-27 US disclosed
US-7288674-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-30 US disclosed
US-20060149077-A1 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-07-06 US disclosed
EP-1593674-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-11-09 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060149077-A1 Optically active bisoxazoline compounds, process for production of the same and use thereof ACSL3, ADSL, SQLE KMT2A 4666/4885MEN1 3119/4885KDM4E 3069/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE KMT2A 4666/4885MEN1 3119/4885KDM4E 3069/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE KMT2A 4666/4885MEN1 3119/4885KDM4E 3069/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.